Lugar de publicación
- Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of Theory. 21(10):5118-5131. 2025
- Nonbonded Force Field Parameters Derived from Atoms-in-Molecules Methods Reproduce Interactions in Proteins from First-Principles. 21(4):2043-2054. 2025
- Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method. 20(22):9939-9953. 2024
- AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules. 15(2):1463-1475. 2019